2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C18H24N2O4S2 — CID 16933148

IUPAC2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C18H24N2O4S2/c1-14-3-4-17(23-2)18(11-14)26(21,22)19-12-16(15-5-10-25-13-15)20-6-8-24-9-7-20/h3-5,10-11,13,16,19H,6-9,12H2,1-2H3
InChIKeyAYOJTBQSKOEVSQ-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.42
Rot. Bonds7

About 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16933148) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16933148
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C18H24N2O4S2/c1-14-3-4-17(23-2)18(11-14)26(21,22)19-12-16(15-5-10-25-13-15)20-6-8-24-9-7-20/h3-5,10-11,13,16,19H,6-9,12H2,1-2H3
InChIKeyAYOJTBQSKOEVSQ-UHFFFAOYSA-N
XLogP2.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16933148) is 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCC(c1ccsc1)N1CCOCC1.
What is the InChIKey of 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is AYOJTBQSKOEVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-14-3-4-17(23-2)18(11-14)26(21,22)19-12-16(15-5-10-25-13-15)20-6-8-24-9-7-20/h3-5,10-11,13,16,19H,6-9,12H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16933148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).